Apresentação

O nosso departamento congrega docente que atuam em diversas áreas de pesquisa, notadamente Ciências dos Materiais, Física Computacional, Astrofísica, Cosmologia e Gravitação, Big Bang, Matéria Escura, Energia Escura, Relatividade Geral e teorias gravitacionais alternativas.. Temos um curso de bacharelado em física com ênfases em ciências dos materiais e física básica e um curso de Licenciatura em Física. Atuamos nos cursos de Pós-graduação em Física de Materiais (FIMAT), Rede Temática em Engenharia de Materiais - REDEMAT, Mestrado Profissional em Estudo de Ciência (MPEC) e outros programas em colaboração com outros departamentos da UFOP. 

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Publicações Recentes do Departamento de Física

Dias RF, da Costa CC, Manhabosco TM, de Oliveira AB, Matos MJS, Soares JS, Batista RJC. Ab initio molecular dynamics simulation of methanol and acetonitrile: The effect of van der Waals interactions. Chemical Physics Letters [Internet]. 2019;714 :172 - 177. Publisher's VersionAbstract
We employed PBE and BLYP semi-local functionals and the van der Waals density functional of Dion et al. (2004) (vdW-DF) to investigate structural properties of liquid acetonitrile and methanol. Among those functionals the vdW-DF is the only one that correctly predicts energy minima in inter-molecular interactions between acetonitrile molecules. We found that van der Waals interactions have a negligible effect on H-bonds in methanol chains. However, it significantly increases chain packing resulting in a more dense liquid in comparison to the other two functionals. The overall trend is that the vdW-DF tends to overestimate density and bulk modulus, meanwhile the semi-local functionals tend to underestimate density. Thus, van der Waals interactions play an important role in the properties of liquids in which much stronger dipole-dipole interactions are present.
Souza FS, Matos MJS, Galvão BRL, Arapiraca AFC, da Silva SN, Pinheiro IP. Adsorption of CO2 on biphasic and amorphous calcium phosphates: An experimental and theoretical analysis. Chemical Physics Letters [Internet]. 2019;714 :143 - 148. Publisher's VersionAbstract
Calcium phosphates are suggested as a CO2 adsorbent via pressure swing adsorption. Amorphous calcium phosphate (ACP) and biphasic calcium phosphate (BCP) (composed of hydroxyapatite and beta-tricalcium phosphate) were investigated for the capture/immobilization of the gas. A fluidized bed was set up to assess the levels of CO2 adsorption by ACP and BCP. A gaseous mixture was synthesized, mimicking the conditions for possible industrial use. The results show a significant reduction in CO2 concentrations. Using DFT calculations, we show that CO2 adsorption increases the stability by reducing the surface energy. The energies involved and preferential adsorption sites were also theoretically predicted.
dos Santos PL, Silveira OJ, Huang R, Jardim GAM, Matos MJS, da Silva Júnior EN, Monkman AP, Dias FB, Cury LA. Dynamics of aggregated states resolved by gated fluorescence in films of room temperature phosphorescent emitters. Phys. Chem. Chem. Phys. [Internet]. 2019;21 :3814-3821. Publisher's VersionAbstract
Phenazine derivative molecules were studied using steady state and time resolved fluorescence techniques and demonstrated to lead to strong formation of aggregated species, identified as dimers by time dependent density functional theory calculations. Blended films in a matrix of Zeonex®, produced at different concentrations, showed different contributions of dimer and monomer emissions in a prompt time frame, e.g. less than 50 ns. In contrast, the phosphorescence (e.g. emission from the triplet state) shows no significant effect on dimer formation, although strong dependence of the phosphorescence intensity on concentration is observed, leading to phosphorescence being quenched at higher concentration.
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Publicações de Livros do Departamento de Física

Maio 2024

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